2,1,3-Benzothiadiazole-4-carbonyl chloride

Base Information

• Chemical Name: 2,1,3-Benzothiadiazole-4-carbonyl chloride
• CAS No.: 148563-33-1
• Molecular Formula: C₇H₃ClN₂OS
• Molecular Weight: 198.633
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70383579
• Wikidata: Q82175359
• Mol file: 148563-33-1.mol

Synonyms:2,1,3-benzothiadiazole-4-carbonyl chloride;148563-33-1;Benzo[c][1,2,5]thiadiazole-4-carbonyl chloride;SCHEMBL1019293;DTXSID70383579;AKOS006294945;FT-0763914;Benzo[c][1,2,5]thiadiazole-4-carbonylchloride;J-506694

Chemical Property of 2,1,3-Benzothiadiazole-4-carbonyl chloride

Chemical Property:

• Vapor Pressure: 0.00133mmHg at 25°C
• Melting Point: 110 °C
• Refractive Index: 1.704
• Boiling Point: 297.6°Cat760mmHg
• Flash Point: 133.8°C
• PSA: 71.09000
• Density: 1.577g/cm³
• LogP: 2.07030
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 197.9654616
• Heavy Atom Count: 12
• Complexity: 202

Purity/Quality:

98%min ^*data from raw suppliers

2,1,3-Benzothiadiazole-4-carbonylchloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: C:Corrosive
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NSN=C2C(=C1)C(=O)Cl

Technology Process of 2,1,3-Benzothiadiazole-4-carbonyl chloride

There total 1 articles about 2,1,3-Benzothiadiazole-4-carbonyl chloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

benzo[1,2,5]thiadiazole-4-carboxylic acid (3529-57-5,118514-40-2) → benzo[1,2,5]thiadiazole-4-carboxylic acid chloride (148563-33-1)

Guidance literature:

With thionyl chloride; Heating;

DOI:10.1021/jm060590x

Reference yield:

4-bromo-2-aminobenzoic acid piperidine amide (791098-10-7) + benzo[1,2,5]thiadiazole-4-carboxylic acid chloride (148563-33-1) → C19H17BrN4O2S

Guidance literature:

With pyridine; In dichloromethane; for 3h;

DOI:10.1021/jm060590x

upstream raw materials:

benzo[1,2,5]thiadiazole-4-carboxylic acid

Refernces

• 1、 -. "4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS". Page/Page column 13-14. . Retrieved 2008/06/13.